A trinuclear zinc–cerium complex: [CeZn2{CH2C(CH3)COO}6(NO3)(2,2′-bi­pyridine)2]

Wu, B.; Guo, Y.

doi:10.1107/S1600536804020690

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A trinuclear zinc–cerium complex: [CeZn₂{CH₂C(CH₃)COO}₆(NO₃)(2,2′-bipyridine)₂]

B. Wu and Y. Guo

In the novel title carboxylate-bridged trinuclear zinc–cerium complex, bis(2,2′-bipyridine)hexakis-μ-methacrylato-nitratocerium(III)dizinc(II), [Zn₂Ce(C₄H₅O₂)₆(NO₃)(C₁₀H₈N₂)₂], the Ce and each of two Zn atoms are bridged by three bidentate carboxylate groups. The Ce

Zn separations are 4.011 (1) and 3.982 (1) Å. The Ce atom is eight-coordinate in irregular polyhedron. Each Zn atom is five-coordinate, with a distorted pyramidal geometry.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804020690/cv6363sup1.cif Contains datablocks global, I
	Structure factor file (CIF format) https://doi.org/10.1107/S1600536804020690/cv6363Isup2.hkl Contains datablock I

CCDC reference: 252745

checkCIF report

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.004 Å
R factor = 0.024
wR factor = 0.053
Data-to-parameter ratio = 14.1

checkCIF/PLATON results

No syntax errors found



Alert level B
PLAT241_ALERT_2_B Check High   U(eq) as Compared to Neighbors  for        O10

Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.97
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.19 Ratio
PLAT230_ALERT_2_C Hirshfeld Test Diff for    O7     -   N3      ..       5.69 su
PLAT230_ALERT_2_C Hirshfeld Test Diff for    O8     -   N3      ..       5.69 su
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Ce     -   O7      ..       7.33 su
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Ce     -   O8      ..       7.25 su
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors  for         O2
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors  for         O4
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors  for         O6
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors  for        O12
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors  for        O14
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors  for         Ce
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors  for        C12
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors  for        C16
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors  for        C23
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors  for        C24

   0 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
  16 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
  16 ALERT type 2 Indicator that the structure model may be wrong or deficient
   1 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: RAPID-AUTO (Rigaku, 1998); cell refinement: RAPID-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2002); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 (Farrugia, 1997); software used to prepare material for publication: SHELXL97.

bis(2,2'-bipyridine)hexakis-µ-methacrylato-nitratocerium(III)dizinc(II) top

Crystal data top

[Zn₂Ce(C₄H₅O₂)₆(NO₃)(C₁₀H₈N₂)₂]	Z = 2
M_r = 1155.76	F(000) = 1166
Triclinic, P1	D_x = 1.611 Mg m⁻³
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71069 Å
a = 11.3384 (13) Å	Cell parameters from 8672 reflections
b = 13.6971 (9) Å	θ = 2.5–27.3°
c = 16.4806 (11) Å	µ = 2.01 mm⁻¹
α = 104.434 (1)°	T = 293 K
β = 99.374 (1)°	Prism, colorless
γ = 100.110 (1)°	0.36 × 0.24 × 0.17 mm
V = 2382.2 (4) Å³

Data collection top

Rigaku R-AXIS RAPID diffractometer	8588 independent reflections
Radiation source: fine-focus sealed tube	7565 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.019
Detector resolution: 10.00 pixels mm^-1	θ_max = 25.5°, θ_min = 1.3°
ω scans	h = −13→13
Absorption correction: multi-scan (ABSCOR; Higashi, 1995)	k = −16→16
T_min = 0.566, T_max = 0.711	l = −19→19
18383 measured reflections

Refinement top

Refinement on F²	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F² > 2σ(F²)] = 0.024	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.053	H atoms treated by a mixture of independent and constrained refinement
S = 1.06	w = 1/[σ²(F_o²) + (0.0229P)² + 1.5477P] where P = (F_o² + 2F_c²)/3
8588 reflections	(Δ/σ)_max = 0.001
610 parameters	Δρ_max = 0.51 e Å⁻³
0 restraints	Δρ_min = −0.36 e Å⁻³

Special details top

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq
Ce	0.148232 (12)	0.263387 (11)	0.257826 (8)	0.02909 (4)
Zn1	0.21474 (3)	0.07389 (2)	0.401529 (18)	0.03424 (7)
Zn2	0.21165 (2)	0.40445 (2)	0.080066 (17)	0.03095 (7)
O1	0.06639 (18)	−0.02527 (16)	0.31329 (12)	0.0515 (5)
O2	0.12971 (18)	0.08088 (15)	0.24090 (15)	0.0574 (6)
O3	0.11969 (18)	0.16240 (15)	0.46919 (13)	0.0493 (5)
O4	0.13846 (19)	0.28803 (18)	0.40658 (12)	0.0563 (5)
O5	0.36466 (16)	0.19353 (14)	0.44460 (12)	0.0451 (5)
O6	0.34962 (17)	0.26075 (17)	0.33467 (12)	0.0521 (5)
O7	−0.07913 (17)	0.18903 (16)	0.26113 (13)	0.0511 (5)
O8	−0.03400 (19)	0.35389 (16)	0.27785 (14)	0.0530 (5)
O9	−0.2207 (2)	0.2767 (2)	0.27161 (18)	0.0834 (9)
O10	0.2900 (2)	0.2649 (2)	0.15883 (14)	0.0731 (7)
O11	0.29774 (17)	0.28695 (14)	0.03318 (12)	0.0439 (4)
O12	0.02706 (17)	0.24063 (16)	0.11659 (12)	0.0520 (5)
O13	0.04122 (15)	0.32345 (14)	0.01838 (11)	0.0387 (4)
O14	0.22080 (19)	0.44618 (15)	0.27952 (15)	0.0578 (6)
O15	0.15613 (17)	0.50508 (16)	0.16996 (12)	0.0512 (5)
N1	0.33812 (19)	−0.02108 (17)	0.35501 (14)	0.0402 (5)
N2	0.23571 (18)	−0.01240 (16)	0.48975 (13)	0.0368 (5)
N3	−0.1133 (2)	0.2735 (2)	0.27062 (16)	0.0530 (7)
N4	0.39592 (18)	0.50330 (16)	0.13329 (13)	0.0343 (5)
N5	0.23320 (18)	0.49128 (15)	−0.00646 (13)	0.0329 (4)
C1	0.3861 (3)	−0.0209 (3)	0.28635 (19)	0.0530 (7)
H1	0.3591	0.0172	0.2506	0.064*
C2	0.4736 (3)	−0.0749 (3)	0.2665 (2)	0.0649 (9)
H2	0.5047	−0.0743	0.2177	0.078*
C3	0.5142 (3)	−0.1298 (3)	0.3204 (2)	0.0648 (9)
H3	0.5742	−0.1664	0.3088	0.078*
C4	0.4659 (3)	−0.1305 (2)	0.3915 (2)	0.0538 (8)
H4	0.4929	−0.1672	0.4286	0.065*
C5	0.3762 (2)	−0.07579 (19)	0.40730 (17)	0.0387 (6)
C6	0.3158 (2)	−0.07329 (19)	0.48069 (17)	0.0377 (6)
C7	0.3368 (3)	−0.1321 (2)	0.5367 (2)	0.0530 (8)
H7	0.3937	−0.1733	0.5308	0.064*
C8	0.2722 (3)	−0.1290 (3)	0.6012 (2)	0.0618 (9)
H8	0.2856	−0.1678	0.6393	0.074*
C9	0.1888 (3)	−0.0686 (2)	0.6085 (2)	0.0549 (8)
H9	0.1433	−0.0667	0.6508	0.066*
C10	0.1735 (2)	−0.0105 (2)	0.55211 (18)	0.0459 (7)
H10	0.1177	0.0318	0.5576	0.055*
C11	0.0590 (2)	0.0012 (2)	0.24545 (18)	0.0397 (6)
C12	−0.0333 (2)	−0.0669 (2)	0.16802 (17)	0.0398 (6)
C13	−0.1145 (3)	−0.1566 (3)	0.1788 (2)	0.0680 (10)
H13A	−0.1661	−0.1967	0.1243	0.102*
H13B	−0.1646	−0.1332	0.2180	0.102*
H13C	−0.0660	−0.1986	0.2013	0.102*
C14	−0.0377 (3)	−0.0451 (3)	0.0932 (2)	0.0600 (8)
H14A	−0.0944	−0.0877	0.0445	0.072*
H14B	0.0159	0.0128	0.0898	0.072*
C15	0.1236 (2)	0.2540 (2)	0.46878 (16)	0.0389 (6)
C16	0.1118 (2)	0.3276 (2)	0.54936 (17)	0.0434 (6)
C17	0.1066 (3)	0.2859 (3)	0.6230 (2)	0.0689 (10)
H17A	0.1048	0.3402	0.6723	0.103*
H17B	0.1776	0.2584	0.6351	0.103*
H17C	0.0339	0.2319	0.6098	0.103*
C18	0.1075 (4)	0.4251 (3)	0.5520 (3)	0.0807 (12)
H18A	0.1007	0.4706	0.6024	0.097*
H18B	0.1112	0.4474	0.5034	0.097*
C19	0.3988 (2)	0.2605 (2)	0.40811 (17)	0.0367 (6)
C20	0.5063 (2)	0.3479 (2)	0.45700 (19)	0.0426 (6)
C21	0.5229 (3)	0.3822 (2)	0.5421 (2)	0.0626 (9)
H21A	0.5874	0.4378	0.5733	0.075*
H21B	0.4699	0.3506	0.5704	0.075*
C22	0.5851 (3)	0.3926 (3)	0.4062 (3)	0.0750 (11)
H22A	0.6415	0.4547	0.4427	0.112*
H22B	0.5349	0.4086	0.3607	0.112*
H22C	0.6301	0.3436	0.3823	0.112*
C23	0.3229 (2)	0.2428 (2)	0.08931 (17)	0.0396 (6)
C24	0.4015 (3)	0.1658 (2)	0.0733 (2)	0.0490 (7)
C25	0.4676 (4)	0.1472 (4)	0.1426 (3)	0.1013 (15)
H25A	0.5205	0.1026	0.1347	0.122*
H25B	0.4598	0.1792	0.1976	0.122*
C26	0.4077 (3)	0.1197 (2)	−0.0143 (2)	0.0607 (8)
H26A	0.4659	0.0765	−0.0151	0.091*
H26B	0.4330	0.1733	−0.0400	0.091*
H26C	0.3283	0.0786	−0.0459	0.091*
C27	−0.0163 (2)	0.26004 (19)	0.04953 (15)	0.0333 (5)
C28	−0.1442 (2)	0.2052 (2)	0.00182 (17)	0.0419 (6)
C29	−0.2114 (3)	0.1401 (3)	0.0349 (3)	0.0698 (10)
H29A	−0.2916	0.1065	0.0066	0.084*
H29B	−0.1775	0.1288	0.0862	0.084*
C30	−0.1903 (3)	0.2272 (3)	−0.07821 (19)	0.0584 (8)
H30A	−0.2763	0.1958	−0.0980	0.088*
H30B	−0.1469	0.1996	−0.1207	0.088*
H30C	−0.1780	0.3007	−0.0685	0.088*
C31	0.1827 (2)	0.5127 (2)	0.24952 (18)	0.0405 (6)
C32	0.1692 (2)	0.6095 (2)	0.30871 (17)	0.0400 (6)
C33	0.1689 (3)	0.6144 (3)	0.3902 (2)	0.0626 (9)
H33A	0.1592	0.6744	0.4273	0.075*
H33B	0.1784	0.5579	0.4102	0.075*
C34	0.1545 (3)	0.6966 (2)	0.2727 (2)	0.0621 (9)
H34A	0.1492	0.7549	0.3174	0.093*
H34B	0.0809	0.6760	0.2286	0.093*
H34C	0.2238	0.7154	0.2487	0.093*
C35	0.4709 (2)	0.5072 (2)	0.20616 (17)	0.0429 (6)
H35	0.4441	0.4647	0.2387	0.051*
C36	0.5864 (2)	0.5717 (2)	0.23497 (18)	0.0472 (7)
H36	0.6364	0.5738	0.2863	0.057*
C37	0.6253 (2)	0.6328 (2)	0.18546 (18)	0.0475 (7)
H37	0.7031	0.6764	0.2029	0.057*
C38	0.5496 (2)	0.6296 (2)	0.11048 (18)	0.0411 (6)
H38	0.5756	0.6705	0.0766	0.049*
C39	0.4332 (2)	0.56403 (18)	0.08578 (15)	0.0317 (5)
C40	0.3428 (2)	0.55647 (18)	0.00702 (15)	0.0321 (5)
C41	0.3671 (2)	0.6137 (2)	−0.04920 (17)	0.0409 (6)
H41	0.4438	0.6572	−0.0400	0.049*
C42	0.2761 (3)	0.6053 (2)	−0.11905 (19)	0.0492 (7)
H42	0.2910	0.6433	−0.1573	0.059*
C43	0.1634 (3)	0.5405 (2)	−0.13153 (19)	0.0483 (7)
H43	0.1007	0.5345	−0.1778	0.058*
C44	0.1455 (2)	0.4845 (2)	−0.07405 (17)	0.0415 (6)
H44	0.0695	0.4403	−0.0825	0.050*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Ce	0.03053 (7)	0.03278 (8)	0.02891 (7)	0.00805 (6)	0.00655 (5)	0.01700 (5)
Zn1	0.03396 (15)	0.03771 (16)	0.03303 (15)	0.00919 (13)	0.00182 (11)	0.01641 (12)
Zn2	0.02892 (14)	0.03275 (15)	0.03232 (15)	0.00350 (12)	0.00624 (11)	0.01400 (12)
O1	0.0484 (11)	0.0556 (12)	0.0425 (11)	0.0133 (10)	−0.0076 (9)	0.0100 (9)
O2	0.0419 (11)	0.0330 (10)	0.0921 (17)	0.0060 (9)	0.0131 (10)	0.0116 (10)
O3	0.0511 (11)	0.0474 (12)	0.0560 (12)	0.0166 (10)	0.0203 (9)	0.0173 (9)
O4	0.0658 (13)	0.0858 (16)	0.0384 (11)	0.0391 (12)	0.0211 (9)	0.0339 (11)
O5	0.0372 (10)	0.0406 (10)	0.0573 (12)	0.0066 (8)	0.0002 (8)	0.0219 (9)
O6	0.0380 (10)	0.0781 (15)	0.0402 (11)	0.0127 (10)	0.0008 (8)	0.0223 (10)
O7	0.0443 (11)	0.0584 (13)	0.0662 (14)	0.0137 (10)	0.0192 (9)	0.0399 (11)
O8	0.0526 (12)	0.0585 (13)	0.0676 (14)	0.0252 (11)	0.0228 (10)	0.0382 (11)
O9	0.0470 (13)	0.144 (3)	0.110 (2)	0.0489 (15)	0.0411 (13)	0.092 (2)
O10	0.0501 (12)	0.121 (2)	0.0457 (13)	0.0170 (13)	0.0219 (10)	0.0145 (13)
O11	0.0454 (10)	0.0389 (10)	0.0485 (11)	0.0114 (9)	0.0069 (8)	0.0150 (9)
O12	0.0459 (11)	0.0691 (14)	0.0395 (11)	0.0003 (10)	−0.0010 (8)	0.0283 (10)
O13	0.0339 (9)	0.0421 (10)	0.0379 (10)	−0.0010 (8)	0.0040 (7)	0.0165 (8)
O14	0.0495 (12)	0.0392 (11)	0.0884 (16)	0.0069 (10)	0.0157 (11)	0.0263 (11)
O15	0.0426 (11)	0.0596 (13)	0.0439 (12)	0.0113 (10)	0.0080 (9)	0.0024 (9)
N1	0.0383 (12)	0.0421 (12)	0.0385 (12)	0.0076 (10)	0.0049 (9)	0.0115 (10)
N2	0.0331 (11)	0.0412 (12)	0.0374 (12)	0.0063 (10)	0.0009 (9)	0.0193 (10)
N3	0.0429 (14)	0.087 (2)	0.0542 (15)	0.0285 (14)	0.0208 (11)	0.0494 (14)
N4	0.0309 (10)	0.0382 (11)	0.0342 (11)	0.0041 (9)	0.0065 (8)	0.0139 (9)
N5	0.0324 (10)	0.0342 (11)	0.0347 (11)	0.0070 (9)	0.0060 (8)	0.0155 (9)
C1	0.0531 (17)	0.063 (2)	0.0436 (17)	0.0132 (15)	0.0116 (13)	0.0163 (14)
C2	0.058 (2)	0.081 (2)	0.0510 (19)	0.0167 (18)	0.0175 (15)	0.0057 (17)
C3	0.0512 (18)	0.066 (2)	0.070 (2)	0.0257 (17)	0.0106 (16)	−0.0001 (18)
C4	0.0492 (17)	0.0481 (17)	0.0586 (19)	0.0170 (14)	0.0005 (14)	0.0084 (14)
C5	0.0350 (13)	0.0325 (13)	0.0422 (15)	0.0051 (11)	−0.0024 (11)	0.0077 (11)
C6	0.0349 (13)	0.0320 (13)	0.0417 (15)	0.0029 (11)	−0.0032 (11)	0.0131 (11)
C7	0.0554 (18)	0.0434 (16)	0.064 (2)	0.0155 (14)	0.0008 (15)	0.0279 (15)
C8	0.070 (2)	0.059 (2)	0.064 (2)	0.0078 (17)	0.0075 (17)	0.0425 (17)
C9	0.0544 (18)	0.063 (2)	0.0558 (19)	0.0054 (16)	0.0150 (14)	0.0347 (16)
C10	0.0397 (14)	0.0566 (18)	0.0487 (16)	0.0113 (13)	0.0100 (12)	0.0278 (14)
C11	0.0321 (13)	0.0355 (14)	0.0491 (16)	0.0136 (12)	0.0039 (11)	0.0072 (12)
C12	0.0397 (14)	0.0392 (14)	0.0397 (15)	0.0097 (12)	0.0037 (11)	0.0125 (11)
C13	0.070 (2)	0.060 (2)	0.055 (2)	−0.0161 (18)	−0.0068 (16)	0.0158 (16)
C14	0.076 (2)	0.0577 (19)	0.0459 (18)	0.0156 (17)	0.0092 (15)	0.0159 (15)
C15	0.0300 (12)	0.0583 (18)	0.0327 (14)	0.0147 (12)	0.0057 (10)	0.0181 (12)
C16	0.0395 (14)	0.0520 (17)	0.0393 (15)	0.0099 (13)	0.0119 (11)	0.0122 (12)
C17	0.072 (2)	0.098 (3)	0.0375 (17)	0.024 (2)	0.0133 (15)	0.0176 (17)
C18	0.097 (3)	0.054 (2)	0.095 (3)	0.015 (2)	0.052 (2)	0.011 (2)
C19	0.0277 (12)	0.0419 (15)	0.0423 (15)	0.0146 (11)	0.0039 (10)	0.0128 (12)
C20	0.0363 (14)	0.0355 (14)	0.0573 (18)	0.0117 (12)	0.0015 (12)	0.0187 (13)
C21	0.064 (2)	0.0459 (17)	0.062 (2)	0.0099 (16)	−0.0120 (16)	0.0056 (15)
C22	0.060 (2)	0.068 (2)	0.102 (3)	0.0064 (18)	0.021 (2)	0.037 (2)
C23	0.0302 (13)	0.0451 (15)	0.0390 (15)	0.0011 (12)	0.0094 (11)	0.0079 (12)
C24	0.0502 (16)	0.0416 (16)	0.068 (2)	0.0142 (14)	0.0210 (14)	0.0300 (14)
C25	0.118 (4)	0.128 (4)	0.092 (3)	0.072 (3)	0.024 (3)	0.061 (3)
C26	0.071 (2)	0.0428 (17)	0.077 (2)	0.0203 (16)	0.0320 (18)	0.0167 (16)
C27	0.0307 (12)	0.0368 (13)	0.0304 (13)	0.0055 (11)	0.0043 (10)	0.0089 (10)
C28	0.0320 (13)	0.0422 (15)	0.0454 (15)	0.0037 (12)	0.0015 (11)	0.0092 (12)
C29	0.0416 (17)	0.071 (2)	0.094 (3)	−0.0091 (16)	0.0026 (17)	0.041 (2)
C30	0.0431 (16)	0.075 (2)	0.0486 (18)	0.0070 (16)	−0.0096 (13)	0.0198 (16)
C31	0.0276 (12)	0.0383 (15)	0.0522 (17)	−0.0007 (11)	0.0111 (11)	0.0107 (12)
C32	0.0352 (13)	0.0370 (14)	0.0433 (15)	0.0033 (11)	0.0035 (11)	0.0103 (11)
C33	0.062 (2)	0.080 (2)	0.0443 (18)	0.0220 (18)	0.0099 (15)	0.0121 (16)
C34	0.071 (2)	0.0459 (17)	0.064 (2)	0.0102 (16)	0.0049 (16)	0.0145 (15)
C35	0.0373 (14)	0.0547 (17)	0.0369 (14)	0.0042 (13)	0.0040 (11)	0.0205 (12)
C36	0.0368 (14)	0.0597 (18)	0.0379 (15)	0.0021 (13)	0.0007 (11)	0.0120 (13)
C37	0.0329 (14)	0.0482 (16)	0.0511 (17)	−0.0057 (13)	0.0040 (12)	0.0090 (13)
C38	0.0376 (14)	0.0354 (14)	0.0498 (16)	0.0008 (12)	0.0124 (12)	0.0148 (12)
C39	0.0313 (12)	0.0281 (12)	0.0375 (13)	0.0073 (10)	0.0111 (10)	0.0100 (10)
C40	0.0351 (13)	0.0283 (12)	0.0367 (13)	0.0101 (11)	0.0118 (10)	0.0116 (10)
C41	0.0433 (15)	0.0363 (14)	0.0490 (16)	0.0077 (12)	0.0134 (12)	0.0212 (12)
C42	0.0612 (18)	0.0498 (17)	0.0512 (17)	0.0195 (15)	0.0177 (14)	0.0322 (14)
C43	0.0476 (16)	0.0586 (18)	0.0486 (17)	0.0201 (14)	0.0071 (13)	0.0294 (14)
C44	0.0378 (14)	0.0474 (16)	0.0432 (15)	0.0115 (12)	0.0042 (11)	0.0215 (12)

Geometric parameters (Å, º) top

Ce—O2	2.4125 (19)	C13—H13B	0.9600
Ce—O4	2.4136 (18)	C13—H13C	0.9600
Ce—O6	2.4350 (18)	C14—H14A	0.9300
Ce—O7	2.6149 (19)	C14—H14B	0.9300
Ce—O8	2.614 (2)	C15—C16	1.495 (4)
Ce—O10	2.471 (2)	C16—C18	1.335 (5)
Ce—O12	2.4185 (18)	C16—C17	1.470 (4)
Ce—O14	2.4100 (19)	C17—H17A	0.9600
Zn1—O1	2.0507 (18)	C17—H17B	0.9600
Zn1—O3	2.013 (2)	C17—H17C	0.9600
Zn1—O5	2.0317 (18)	C18—H18A	0.9300
Zn1—N1	2.174 (2)	C18—H18B	0.9300
Zn1—N2	2.100 (2)	C19—C20	1.502 (4)
Zn2—O11	2.0779 (19)	C20—C21	1.334 (4)
Zn2—O13	2.0109 (16)	C20—C22	1.477 (4)
Zn2—O15	2.020 (2)	C21—H21A	0.9300
Zn2—N4	2.1877 (19)	C21—H21B	0.9300
Zn2—N5	2.0892 (19)	C22—H22A	0.9600
O1—C11	1.253 (3)	C22—H22B	0.9600
O2—C11	1.262 (3)	C22—H22C	0.9600
O3—C15	1.249 (3)	C23—C24	1.498 (4)
O4—C15	1.251 (3)	C24—C25	1.364 (5)
O5—C19	1.256 (3)	C24—C26	1.443 (4)
O6—C19	1.248 (3)	C25—H25A	0.9300
O7—N3	1.265 (3)	C25—H25B	0.9300
O8—N3	1.260 (3)	C26—H26A	0.9600
O9—N3	1.229 (3)	C26—H26B	0.9600
O10—C23	1.245 (3)	C26—H26C	0.9600
O11—C23	1.247 (3)	C27—C28	1.495 (3)
O12—C27	1.245 (3)	C28—C29	1.346 (4)
O13—C27	1.255 (3)	C28—C30	1.460 (4)
O14—C31	1.247 (3)	C29—H29A	0.9300
O15—C31	1.270 (3)	C29—H29B	0.9300
N1—C1	1.333 (4)	C30—H30A	0.9600
N1—C5	1.344 (3)	C30—H30B	0.9600
N2—C10	1.336 (3)	C30—H30C	0.9600
N2—C6	1.338 (3)	C31—C32	1.486 (4)
N4—C35	1.337 (3)	C32—C33	1.329 (4)
N4—C39	1.339 (3)	C32—C34	1.482 (4)
N5—C44	1.339 (3)	C33—H33A	0.9300
N5—C40	1.346 (3)	C33—H33B	0.9300
C1—C2	1.371 (5)	C34—H34A	0.9600
C1—H1	0.9300	C34—H34B	0.9600
C2—C3	1.375 (5)	C34—H34C	0.9600
C2—H2	0.9300	C35—C36	1.380 (4)
C3—C4	1.374 (5)	C35—H35	0.9300
C3—H3	0.9300	C36—C37	1.374 (4)
C4—C5	1.385 (4)	C36—H36	0.9300
C4—H4	0.9300	C37—C38	1.371 (4)
C5—C6	1.480 (4)	C37—H37	0.9300
C6—C7	1.387 (4)	C38—C39	1.394 (3)
C7—C8	1.382 (5)	C38—H38	0.9300
C7—H7	0.9300	C39—C40	1.486 (3)
C8—C9	1.361 (5)	C40—C41	1.384 (3)
C8—H8	0.9300	C41—C42	1.381 (4)
C9—C10	1.377 (4)	C41—H41	0.9300
C9—H9	0.9300	C42—C43	1.375 (4)
C10—H10	0.9300	C42—H42	0.9300
C11—C12	1.491 (4)	C43—C44	1.377 (4)
C12—C14	1.335 (4)	C43—H43	0.9300
C12—C13	1.468 (4)	C44—H44	0.9300
C13—H13A	0.9600

O2—Ce—O4	89.12 (8)	C12—C13—H13B	109.5
O2—Ce—O6	78.29 (7)	H13A—C13—H13B	109.5
O2—Ce—O7	73.88 (7)	C12—C13—H13C	109.5
O2—Ce—O8	122.72 (7)	H13A—C13—H13C	109.5
O2—Ce—O10	92.17 (9)	H13B—C13—H13C	109.5
O2—Ce—O12	95.03 (7)	C12—C14—H14A	120.0
O2—Ce—O14	165.61 (7)	C12—C14—H14B	120.0
O4—Ce—O6	72.88 (7)	H14A—C14—H14B	120.0
O4—Ce—O7	72.89 (7)	O3—C15—O4	124.7 (3)
O4—Ce—O8	74.85 (7)	O3—C15—C16	117.0 (2)
O4—Ce—O10	143.80 (7)	O4—C15—C16	118.3 (3)
O4—Ce—O12	143.48 (7)	C18—C16—C17	123.6 (3)
O4—Ce—O14	92.48 (8)	C18—C16—C15	120.4 (3)
O6—Ce—O7	135.68 (6)	C17—C16—C15	116.1 (3)
O6—Ce—O8	140.91 (7)	C16—C17—H17A	109.5
O6—Ce—O10	72.00 (7)	C16—C17—H17B	109.5
O6—Ce—O12	143.46 (7)	H17A—C17—H17B	109.5
O6—Ce—O14	88.51 (7)	C16—C17—H17C	109.5
O7—Ce—O8	48.85 (7)	H17A—C17—H17C	109.5
O7—Ce—O10	141.70 (7)	H17B—C17—H17C	109.5
O7—Ce—O12	73.52 (6)	C16—C18—H18A	120.0
O7—Ce—O14	120.22 (7)	C16—C18—H18B	120.0
O8—Ce—O10	131.85 (8)	H18A—C18—H18B	120.0
O8—Ce—O12	72.46 (7)	O6—C19—O5	125.2 (2)
O8—Ce—O14	71.39 (7)	O6—C19—C20	117.3 (2)
O10—Ce—O12	72.41 (7)	O5—C19—C20	117.5 (2)
O10—Ce—O14	78.15 (9)	C21—C20—C22	124.2 (3)
O12—Ce—O14	92.18 (7)	C21—C20—C19	118.8 (3)
O1—Zn1—O3	96.78 (8)	C22—C20—C19	116.9 (3)
O1—Zn1—O5	155.68 (8)	C20—C21—H21A	120.0
O1—Zn1—N1	91.69 (8)	C20—C21—H21B	120.0
O1—Zn1—N2	99.12 (8)	H21A—C21—H21B	120.0
O3—Zn1—O5	89.44 (8)	C20—C22—H22A	109.5
O3—Zn1—N1	167.88 (8)	C20—C22—H22B	109.5
O3—Zn1—N2	93.27 (8)	H22A—C22—H22B	109.5
O5—Zn1—N1	86.34 (8)	C20—C22—H22C	109.5
O5—Zn1—N2	103.99 (8)	H22A—C22—H22C	109.5
N1—Zn1—N2	76.78 (8)	H22B—C22—H22C	109.5
O11—Zn2—O13	95.14 (7)	O10—C23—O11	122.0 (3)
O11—Zn2—O15	156.40 (8)	O10—C23—C24	119.9 (3)
O11—Zn2—N4	86.50 (8)	O11—C23—C24	118.0 (2)
O11—Zn2—N5	100.54 (8)	C25—C24—C26	123.8 (3)
O13—Zn2—O15	94.98 (8)	C25—C24—C23	118.2 (3)
O13—Zn2—N4	172.11 (7)	C26—C24—C23	117.9 (3)
O13—Zn2—N5	95.36 (7)	C24—C25—H25A	120.0
O15—Zn2—N4	86.38 (8)	C24—C25—H25B	120.0
O15—Zn2—N5	99.67 (9)	H25A—C25—H25B	120.0
N4—Zn2—N5	76.75 (7)	C24—C26—H26A	109.5
C11—O1—Zn1	107.88 (17)	C24—C26—H26B	109.5
C11—O2—Ce	142.68 (18)	H26A—C26—H26B	109.5
C15—O3—Zn1	122.13 (17)	C24—C26—H26C	109.5
C15—O4—Ce	151.8 (2)	H26A—C26—H26C	109.5
C19—O5—Zn1	127.49 (17)	H26B—C26—H26C	109.5
C19—O6—Ce	137.96 (17)	O12—C27—O13	123.9 (2)
N3—O7—Ce	96.52 (15)	O12—C27—C28	119.1 (2)
N3—O8—Ce	96.72 (16)	O13—C27—C28	117.0 (2)
C23—O10—Ce	156.92 (19)	C29—C28—C30	123.4 (3)
C23—O11—Zn2	109.48 (17)	C29—C28—C27	119.0 (3)
C27—O12—Ce	160.47 (18)	C30—C28—C27	117.6 (2)
C27—O13—Zn2	119.84 (15)	C28—C29—H29A	120.0
C31—O14—Ce	135.05 (18)	C28—C29—H29B	120.0
C31—O15—Zn2	123.31 (19)	H29A—C29—H29B	120.0
C1—N1—C5	119.4 (3)	C28—C30—H30A	109.5
C1—N1—Zn1	126.1 (2)	C28—C30—H30B	109.5
C5—N1—Zn1	114.15 (18)	H30A—C30—H30B	109.5
C10—N2—C6	119.4 (2)	C28—C30—H30C	109.5
C10—N2—Zn1	123.99 (19)	H30A—C30—H30C	109.5
C6—N2—Zn1	116.56 (17)	H30B—C30—H30C	109.5
O9—N3—O8	121.1 (3)	O14—C31—O15	124.2 (3)
O9—N3—O7	121.0 (3)	O14—C31—C32	119.6 (3)
O8—N3—O7	117.8 (2)	O15—C31—C32	116.1 (3)
C35—N4—C39	119.4 (2)	C33—C32—C34	122.8 (3)
C35—N4—Zn2	126.32 (16)	C33—C32—C31	119.7 (3)
C39—N4—Zn2	114.29 (16)	C34—C32—C31	117.5 (2)
C44—N5—C40	119.0 (2)	C32—C33—H33A	120.0
C44—N5—Zn2	123.82 (16)	C32—C33—H33B	120.0
C40—N5—Zn2	117.13 (16)	H33A—C33—H33B	120.0
N1—C1—C2	122.5 (3)	C32—C34—H34A	109.5
N1—C1—H1	118.7	C32—C34—H34B	109.5
C2—C1—H1	118.7	H34A—C34—H34B	109.5
C1—C2—C3	118.4 (3)	C32—C34—H34C	109.5
C1—C2—H2	120.8	H34A—C34—H34C	109.5
C3—C2—H2	120.8	H34B—C34—H34C	109.5
C4—C3—C2	119.8 (3)	N4—C35—C36	122.6 (2)
C4—C3—H3	120.1	N4—C35—H35	118.7
C2—C3—H3	120.1	C36—C35—H35	118.7
C3—C4—C5	119.0 (3)	C37—C36—C35	118.0 (3)
C3—C4—H4	120.5	C37—C36—H36	121.0
C5—C4—H4	120.5	C35—C36—H36	121.0
N1—C5—C4	120.9 (3)	C38—C37—C36	120.2 (2)
N1—C5—C6	115.5 (2)	C38—C37—H37	119.9
C4—C5—C6	123.5 (3)	C36—C37—H37	119.9
N2—C6—C7	120.6 (3)	C37—C38—C39	119.0 (2)
N2—C6—C5	116.4 (2)	C37—C38—H38	120.5
C7—C6—C5	123.0 (3)	C39—C38—H38	120.5
C8—C7—C6	119.4 (3)	N4—C39—C38	120.9 (2)
C8—C7—H7	120.3	N4—C39—C40	115.7 (2)
C6—C7—H7	120.3	C38—C39—C40	123.4 (2)
C9—C8—C7	119.5 (3)	N5—C40—C41	121.1 (2)
C9—C8—H8	120.2	N5—C40—C39	116.0 (2)
C7—C8—H8	120.2	C41—C40—C39	122.9 (2)
C8—C9—C10	118.5 (3)	C42—C41—C40	119.3 (2)
C8—C9—H9	120.7	C42—C41—H41	120.4
C10—C9—H9	120.7	C40—C41—H41	120.4
N2—C10—C9	122.5 (3)	C43—C42—C41	119.5 (2)
N2—C10—H10	118.8	C43—C42—H42	120.3
C9—C10—H10	118.8	C41—C42—H42	120.3
O1—C11—O2	121.8 (2)	C42—C43—C44	118.5 (3)
O1—C11—C12	118.0 (2)	C42—C43—H43	120.7
O2—C11—C12	120.2 (3)	C44—C43—H43	120.7
C14—C12—C13	123.4 (3)	N5—C44—C43	122.6 (2)
C14—C12—C11	119.6 (3)	N5—C44—H44	118.7
C13—C12—C11	117.1 (2)	C43—C44—H44	118.7
C12—C13—H13A	109.5

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